General Information of the Compound
| Compound ID |
CP0443883
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| Compound Name |
2-{4-[5-(4-Fluoro-phenyl)-pyridin-3-ylmethyl]-piperazin-1-yl}-pyrimidine
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| Structure |
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| Formula |
C20H20FN5
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| Molecular Weight |
349.413
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| Canonical SMILES |
Fc1ccc(cc1)-c1cncc(CN2CCN(CC2)c2ncccn2)c1
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| InChI |
InChI=1S/C20H20FN5/c21-19-4-2-17(3-5-19)18-12-16(13-22-14-18)15-25-8-10-26(11-9-25)20-23-6-1-7-24-20/h1-7,12-14H,8-11,15H2
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| InChIKey |
CQTUBBGJACSDPZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor